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Valine, N-[N-(1-adamantylcarbonyl)-L-alanyl]-, methyl ester, L-
SpectraBase Compound ID 1CokwEeSKdQ
InChI InChI=1S/C20H32N2O4/c1-11(2)16(18(24)26-4)22-17(23)12(3)21-19(25)20-8-13-5-14(9-20)7-15(6-13)10-20/h11-16H,5-10H2,1-4H3,(H,21,25)(H,22,23)/t12?,13-,14+,15-,16?,20-
InChIKey GMFWQOKBRHVQEB-DREXYXANSA-N
Mol Weight 364.5 g/mol
Molecular Formula C20H32N2O4
Exact Mass 364.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DcQilZbodRW
Name Valine, N-[N-(1-adamantylcarbonyl)-L-alanyl]-, methyl ester, L-
CAS Registry Number 28417-03-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H32N2O4
InChI InChI=1S/C20H32N2O4/c1-11(2)16(18(24)26-4)22-17(23)12(3)21-19(25)20-8-13-5-14(9-20)7-15(6-13)10-20/h11-16H,5-10H2,1-4H3,(H,21,25)(H,22,23)/t12?,13-,14+,15-,16?,20-
InChIKey GMFWQOKBRHVQEB-DREXYXANSA-N
Molecular Weight 364.486 g/mol
SMILES N(C(=O)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])C(C(NC(C(OC)=O)C(C)C)=O)C
SPLASH splash10-052r-5960000000-70e93ec5657645a4bc3c
Source of Spectrum O-3-795-4
Synonyms Methyl 2-((2-[(1-adamantylcarbonyl)amino]propanoyl)amino)-3-methylbutanoate 2-[2-(adamantane-1-carbonylamino)propanoylamino]-3-methyl-butyric acid methyl ester 2-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid methyl ester Methyl 2-[2-(adamantane-1-carbonylamino)propanoylamino]-3-methyl-butanoate Methyl 2-[2-(adamantane-1-carbonylamino)propanoylamino]-3-methylbutanoate
Wiley ID 53673